0 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 5.11636 7.95042 10.9819 9.30028 15.4638 17.3778 7.7447 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 8.55984 9.08221 15.6595 12.2384 5.87468 16.0498 9.10675 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 5.69391 9.55118 13.6019 12.0815 16.024 19.9421 8.80645 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 8.03644 7.27724 8.41707 15.6249 8.27883 15.6447 11.5898 4.73066 11.5853 4.3439 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 8.03644 7.27724 8.41707 12.4896 5.75428 14.0772 11.5898 4.73066 11.5853 6.05855 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 6.48948 5.08437 9.51923 7.03983 7.02507 9.89095 13.328 9.71703 15.4694 7.14813 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 6.48948 6.10456 9.42358 7.03983 7.02507 12.7417 13.328 9.71703 18.3881 7.14813 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 9.30299 8.14887 7.30196 12.8087 6.08673 12.1234 12.4738 3.97136 7.73234 8.09691 numMergedOcc 0
8 mol 142 unq 0 iso 0 dist 9.2313 5.31024 5.32922 4.67662 7.81207 6.14151 8.04118 4.05822 4.7832 5.42679 numMergedOcc 0
9 mol 142 unq 1 iso 0 dist 5.31024 9.2313 5.32922 4.67662 6.14151 7.81207 8.04118 4.7832 4.05822 5.42679 numMergedOcc 0
10 mol 142 unq 2 iso 0 dist 7.73169 7.26382 5.32922 5.81599 7.81207 6.14151 8.39035 4.05822 4.7832 5.42679 numMergedOcc 0
11 mol 142 unq 3 iso 0 dist 7.26382 7.73169 5.32922 5.81599 6.14151 7.81207 8.39035 4.7832 4.05822 5.42679 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 5.87555 8.87437 5.49936 4.94983 6.70693 10.4895 6.79114 4.68615 9.35878 8.60651 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 8.56324 6.70283 7.65448 5.39112 6.59889 6.70693 10.338 10.6994 4.68615 8.60651 numMergedOcc 0
14 mol 152 unq 2 iso 0 dist 8.56324 7.16148 10.6875 5.39112 6.59889 10.4895 10.338 10.6994 9.35878 8.60651 numMergedOcc 0
15 mol 152 unq 3 iso 0 dist 6.70283 8.56324 7.65448 5.39112 6.70693 6.59889 10.338 4.68615 10.6994 8.60651 numMergedOcc 0
16 mol 152 unq 4 iso 0 dist 6.70283 7.16148 5.49936 5.39112 6.70693 10.4895 10.338 4.68615 9.35878 8.60651 numMergedOcc 0
17 mol 152 unq 5 iso 0 dist 8.67331 8.05741 5.49936 9.67475 6.70693 10.4895 10.3706 4.68615 9.35878 8.60651 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.54065 9.70748 13.8792 11.0961 6.61112 18.4751 18.944 12.2442 25.8475 9.17458 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 7.54065 9.70748 13.8792 11.0961 6.61112 18.4751 18.0284 11.7398 24.7956 7.36794 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 7.54065 8.87694 5.74635 11.0961 6.61112 11.456 18.944 12.2442 14.9028 9.17458 numMergedOcc 0
21 mol 186 unq 3 iso 0 dist 7.54065 8.87694 5.74635 11.0961 6.61112 11.456 18.0284 11.7398 15.4565 7.36794 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 7.21333 8.01589 13.3522 6.84862 5.56538 14.4477 5.1609 8.89157 6.91863 8.88902 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 7.21333 7.7699 5.24516 6.84862 5.56538 10.0233 5.1609 8.89157 8.26703 8.88902 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 7.19638 8.33025 14.9102 7.40852 7.15764 13.1298 12.8652 9.73449 17.1704 7.62991 numMergedOcc 0
25 mol 252 unq 1 iso 0 dist 7.19638 8.33025 14.9102 7.40852 7.15764 13.1298 12.9602 9.93981 20.6661 9.81261 numMergedOcc 0
26 mol 252 unq 2 iso 0 dist 7.19638 9.2288 11.7918 7.40852 7.15764 10.5687 12.8652 9.73449 10.5966 7.62991 numMergedOcc 0
27 mol 252 unq 3 iso 0 dist 7.19638 9.2288 11.7918 7.40852 7.15764 10.5687 12.9602 9.93981 19.6445 9.81261 numMergedOcc 0
